Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.48 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13853239 | 0.98 | CYP1A2 (0.54) | CYP1A2ALDH1A1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL13853230 | 0.94 | CYP1A2 (0.59) | CYP1A2ALDH1A1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL14956928 | 0.86 | ALDH1A1 (0.47) | ALDH1A1MAPTLMNAHSD17B10KDM4E | |
| SCHEMBL13853237 | 0.85 | CYP1A2 (0.56) | CYP1A2ALDH1A1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL27459666 | 0.85 | ALDH1A1 (0.49) | CYP1A2ALDH1A1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL5262682 | 0.81 | CYP1A2 (0.41) | CYP1A2ALDH1A1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL510572 | 0.80 | ALDH1A1 (0.54) | CYP1A2ALDH1A1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL1680317 | 0.80 | ALDH1A1 (0.54) | CYP1A2ALDH1A1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL14967079 | 0.80 | ALDH1A1 (0.45) | ALDH1A1NPC1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL4192112 | 0.78 | CYP1A2 (0.62) | CYP1A2ALDH1A1NPC1SMN1; SMN2RAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1824828-A2 | PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS | Peakdale Molecular Limited (GB) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006059103-A2 | PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS | PEAKDALE MOLECULAR LIMITED (GB) | 2006-06-08 | — | — | WO | disclosed |